input word = C00003686

Metabolite InformationStructural formula
Name Cucurbitacin E
Formula C32H44O8
Mw 556.30361838
CAS RN 18444-66-1
C_ID C00003686 ,
InChIKey NDYMQXYDSVBNLL-IRLJXNDVNA-N
InChICode InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1
SMILES C1(=C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@H]([C@@H]2[C@](C(=O)/C=C/C(C)(C)OC(=O)C)(O)C)O)C)C)C)C(C1=O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia nantoensis Ref.
PlantaeCruciferaeIberis amara L. Ref.
PlantaeCucurbitaceaeBryonia alba Ref.
PlantaeCucurbitaceaeBryonia dioica Ref.
PlantaeCucurbitaceaeCitrullus colocynthis Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
PlantaeCucurbitaceaeEcballium elaterium Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
PlantaePlantaginaceaeBacopa monnieri Ref.
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